Compound Identification
SMILES
CCOP(=S)(OCC)SCSC1=C(Cl)C=CC(Cl)=C1.COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)C1=CC=CC=C1)N2C.COC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)=C2[C@@]34CCN5C
InChIKey
InChIKey=LRIHWGBMSQXAGO-JRDALUILSA-N
Formula
C46H57Cl2N2O9PS3
Mass
980.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Morphinans
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Morphinans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Morphinans
Alternative Parents
Phenanthrenes and derivatives Benzoic acid esters Tetralins Coumarans Piperidinecarboxylic acids Tropane alkaloids Benzoyl derivatives Dichlorobenzenes Thiophenol ethers Anisoles Alkylarylthioethers Alkyl aryl ethers Aralkylamines Aryl chlorides Dithiophosphate S-esters Dithiophosphate O-esters N-alkylpyrrolidines Methyl esters Trialkylamines Secondary alcohols Amino acids and derivatives Sulfenyl compounds Oxacyclic compounds Organothiophosphorus compounds Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Morphinan - Phenanthrene - Benzoate ester - Tetralin - Tropane alkaloid - Piperidinecarboxylic acid - Benzoic acid or derivatives - Coumaran - Thiophenol ether - 1,4-dichlorobenzene - Benzoyl - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Chlorobenzene - Aralkylamine - Halobenzene - Dithiophosphate s-ester - N-alkylpyrrolidine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Dithiophosphate o-ester - Aryl chloride - Piperidine - Methyl ester - Organic dithiophosphate - Pyrrolidine - Secondary alcohol - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Organothiophosphorus compound - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Ether - Monocarboxylic acid or derivatives - Thioether - Carbonyl group - Alcohol - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organochloride - Hydrocarbon derivative - Amine - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.
External Descriptors
Not available